2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide

C16H14BrN3O2 — CID 91959003

IUPAC2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCc2cccnc2)cc2oc(Br)cc21
InChIInChI=1S/C16H14BrN3O2/c1-2-6-20-12-8-15(17)22-14(12)7-13(20)16(21)19-10-11-4-3-5-18-9-11/h2-5,7-9H,1,6,10H2,(H,19,21)
InChIKeyCVYRNKSYPSGRMA-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.51
Rot. Bonds5

About 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide

2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91959003) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91959003
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESC=CCn1c(C(=O)NCc2cccnc2)cc2oc(Br)cc21
InChIInChI=1S/C16H14BrN3O2/c1-2-6-20-12-8-15(17)22-14(12)7-13(20)16(21)19-10-11-4-3-5-18-9-11/h2-5,7-9H,1,6,10H2,(H,19,21)
InChIKeyCVYRNKSYPSGRMA-UHFFFAOYSA-N
XLogP3.51
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958920
2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 91961363
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 750404
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 50815635
1-oxo-2-(2-phenylethyl)-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 172882568
2-ethyl-1-oxo-N-(pyridin-3-ylmethyl)isoquinoline-3-carboxamide
CID 171701221
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
4-bromo-1-cyclopropyl-N-(pyridin-3-ylmethyl)pyrrole-2-carboxamide
CID 43641323
2-methyl-4-prop-2-enyl-N-(pyridin-4-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848666
1-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)indole-2-carboxamide
CID 71700512
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 104851859

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 91959003) is 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide is C=CCn1c(C(=O)NCc2cccnc2)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is CVYRNKSYPSGRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-2-6-20-12-8-15(17)22-14(12)7-13(20)16(21)19-10-11-4-3-5-18-9-11/h2-5,7-9H,1,6,10H2,(H,19,21).
What are the key properties of 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-prop-2-enyl-N-(pyridin-3-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91959003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).